共查询到20条相似文献,搜索用时 578 毫秒
1.
S. Thamotharan V. Parthasarathi Ranju Gupta D. P. Jindal Anthony Linden 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):o405-o407
The asymmetric unit of the title compound, C25H30FN3O·0.5CH3OH, contains four symmetry‐independent steroid and two methanol molecules. The conformations of the independent steroid molecules are very similar. Intermolecular O—H⋯O hydrogen bonds create two independent chains, each of which links two of the independent steroid molecules plus one methanol molecule via a co‐operative O—H⋯O—H⋯O—H pattern. Intermolecular C—H⋯O and C—H⋯F interactions are also observed. 相似文献
2.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
3.
Christopher Glidewell John N. Low Manuel Melguizo Antonio Quesada 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(1):o14-o18
In 2‐amino‐4,6‐dimethoxy‐5‐nitropyrimidine, C6H8N4O4, the molecules are linked by one N—H⋯N and one N—H⋯O hydrogen bond to form sheets built from alternating R(8) and R(32) rings. In isomeric 4‐amino‐2,6‐dimethoxy‐5‐nitropyrimidine, C6H8N4O4, which crystallizes with Z′ = 2 in P, the two independent molecules are linked into a dimer by two independent N—H⋯N hydrogen bonds. These dimers are linked into sheets by a combination of two‐centre C—H⋯O and three‐centre C—H⋯(O)2 hydrogen bonds, and the sheets are further linked by two independent aromatic π–π‐stacking interactions to form a three‐dimensional structure. 相似文献
4.
Muharrem Diner brahim Ylmaz Namk
zdemir Alaaddin ukuroval Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):o13-o15
In the title compound, 2‐hydroxy‐1,2‐diphenylethanone 4‐ethylthiosemicarbazone, C17H19N3OS, the thiosemicarbazone moiety is planar and has an E configuration. The planar phenyl rings make dihedral angles of 82.34 (8) and 8.07 (17)° with the plane of the thiosemicarbazone moiety. The crystal structure contains two intramolecular (N—H⋯O and N—H⋯N) and one intermolecular interaction (O—H⋯S), as well as two C—H⋯π(benzene) interactions. Molecules are stacked in columns running along the a axis. Molecules in each column are connected to each other by means of linear O—H⋯S hydrogen bonds and C—H⋯π interactions. In addition, there are also C—H⋯π(benzene) interactions between the columns. 相似文献
5.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):o120-o124
Molecules of 2‐(2‐nitrophenylaminocarbonyl)benzoic acid, C14H10N2O5, are linked into centrosymmetric R(8) dimers by a single O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.623 (2) Å and O—H⋯O = 178°] and these dimers are linked into sheets by a single aromatic π–π stacking interaction. The isomeric compound 2‐(4‐nitrophenylaminocarbonyl)benzoic acid crystallizes in two polymorphic forms. In the orthorhombic form (space group P212121 with Z′ = 1, crystallized from ethanol), the molecules are linked into sheets of R(22) rings by a combination of one N—H⋯O hydrogen bond [H⋯O = 1.96 Å, N⋯O = 2.833 (3) Å and N—H⋯O = 171°] and one O—H⋯O hydrogen bond [H⋯O = 1.78 Å, O⋯O = 2.614 (3) Å and O—H⋯O = 173°]. In the monoclinic form (space group P21/n with Z′ = 2, crystallized from acetone), the molecules are linked by a combination of two N—H⋯O hydrogen bonds [H⋯O = 2.09 and 2.16 Å, N⋯O = 2.873 (4) and 2.902 (3) Å, and N—H⋯O = 147 and 141°] and two O—H⋯O hydrogen bonds [H⋯O = 1.84 and 1.83 Å, O⋯O = 2.664 (3) and 2.666 (3) Å, and O—H⋯O = 166 and 174°] into sheets of some complexity. These sheets are linked into a three‐dimensional framework by a single C—H⋯O hydrogen bond [H⋯O = 2.45 Å, C⋯O = 3.355 (4) Å and C—H⋯O = 160°]. 相似文献
6.
Madhukar Hemamalini Packianathan Thomas Muthiah Gabriele Bocelli Andrea Cantoni 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o284-o286
In the title compound, C10H9N2+·C9H5INO4S−·2H2O, the 4,4′‐bipyridine molecule is protonated at one of the pyridine N atoms. These moieties self‐assemble into a supramolecular chain along the a axis through N—H⋯N hydrogen bonds. The quinolinol OH group acts as a donor with respect to a sulfonate O atom [O—H⋯O(sulfonate)] and acts as an acceptor with respect to a C—H group of ferron [C—H⋯O(hydroxy)], forming a supramolecular chain along the b axis. These two types of supramolecular chains (one type made up of bipyridine motifs and the other made up of sulfoxine motifs) interact viaπ–π stacking, generating a three‐dimensional framework. These chains are further crosslinked by C—H⋯O hydrogen bonds and O—H⋯O hydrogen bonds involving water molecules. 相似文献
7.
Maria Gdaniec Igor Bensemann Tadeusz Pooski 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o215-o216
Hindered rotation about the partial double C—N bonds between the amine and pyridine moieties in the title molecule, C16H14N4, results in two different conformations of the N‐aryl‐2‐aminopyridine units. One, assuming an E conformation, is involved in a pair of N—H⋯N hydrogen bonds that generate a centrosymmetric (8) motif. The second, adopting a Z conformation, is not engaged in any hydrogen bonding and is flattened, the dihedral angle between the benzene and pyridine rings being 12.07 (7)°. This conformation is stabilized by an intramolecular C—H⋯N interaction [C⋯N = 2.9126 (19) Å, H⋯N = 2.31 Å and C—H⋯N = 120°]. 相似文献
8.
Na Liu Ai‐Ling Cheng En‐Qing Gao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):o93-o95
In 3,4‐di‐2‐pyridyl‐1,2,5‐oxadiazole (dpo), C12H8N4O, each molecule resides on a twofold axis and interacts with eight neighbours via four C—H⋯N and four C—H⋯O interactions to generate a three‐dimensional hydrogen‐bonded architecture. In the perchlorate analogue, 2‐[3‐(2‐pyridyl)‐1,2,5‐oxadiazol‐4‐yl]pyridinium perchlorate, C12H9N4O+·ClO4− or [Hdpo]ClO4, the [Hdpo]+ cation is bisected by a crystallographic mirror plane, and the additional H atom in the cation is shared by the two pyridyl N atoms to form a symmetrical intramolecular N⋯H⋯N hydrogen bond. The cations and perchlorate anions are linked through C—H⋯O hydrogen bonds and π–π stacking interactions to form one‐dimensional tubes along the b‐axis direction. 相似文献
9.
Yu‐Xi Sun Ran Zhang Qing‐Mai Jin Xi‐Jing Zhi Xiao‐Ming Lü 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):o467-o469
The two title compounds, both with formula C18H16ClN3O, are structurally similar Schiff bases derived from the condensation of 4‐chlorobenzaldehyde or 2‐chlorobenzaldehyde with 4‐aminoantipyrine in methanol solution. As expected, both compounds adopt trans configurations about the central C=N bonds. In the crystal structure of the 4‐chloro analogue, molecules are linked through weak C—H⋯O hydrogen bonds, forming chains running along the a axis. In the crystal structure of the 2‐chloro analogue, molecules are linked through weak C—H⋯O and C—H⋯Cl hydrogen bonds, forming layers parallel to the ab plane. 相似文献
10.
Mahbod Morshedi Soraia Meghdadi Kurt J. Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):m87-m89
The quinquedentate ligand 2,2′‐[1,1′‐(4‐azaheptane‐1,7‐diyldinitrilo)diethylidyne]diphenol in the title compound, [Cu(C22H27N3O2)], furnishes an N3O2 donor set, which results in a distorted square‐pyramidal coordination; the two O and two imine N atoms lie in the basal plane, while the secondary amine N atom of the ligand occupies the axial position. The axial Cu—N bond is 0.33 Å longer than the average of the equatorial bonds, and the O atoms are trans. The symmetry of the molecule is lowered by the twist–boat and chair conformations adopted by the two CuNN chelate rings. The complex contains two intramolecular C—H⋯O interactions, and two molecules of the complex are linked into a dimer by means of moderate N—H⋯O hydrogen bonds. Spectroscopic evidence supports the presence of hydrogen bonds. 相似文献
11.
Jií Ludvík Jií Urban Jan Fbry Ivana Císaov 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):o259-o262
The title structures, both C10H10N4O, are substitutional isomers. The N—N bond lengths are longer and the C=N bond lengths are shorter by ca 0.025 Å than the respective average values in the C=N—N=C group of asymmetric triazines; the assessed respective bond orders are 1.3 and 1.7. There are N—H⋯O and N—H⋯N hydrogen bonds in both structures, with 4‐amino‐3‐methyl‐6‐phenyl‐1,2,4‐triazin‐5(4H)‐one containing a rare bifurcated N—H⋯N,N hydrogen bond. The structures differ in their molecular stacking and the hydrogen‐bonding patterns. 相似文献
12.
Daniel Fernndez Daniel Vega 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):o661-o663
The title compound, C8H19NO7P2, is a member of the bisphosphonate family of therapeutic compounds. PHPBP has inner‐salt character, consisting of a negatively charged PO3 group and a positively charged N atom. The six‐membered piperidine ring adopts an almost‐perfect chair conformation. The hydroxyl group and the N atom have gauche and trans conformations in relation to the O—C—C—C—N backbone, respectively. Hydrogen bonding is the main contributor to the packing in the crystal, which consists of head‐to‐head dimers formed through phosphonyl–phosphonyl hydrogen bonds, while O—H⋯O and N—H⋯O interactions join the dimers into a plane parallel to crystallographic b and c axes. 相似文献
13.
Yao‐Cheng Shi Bei‐Bei Zhu Xiao‐Bi Jing 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(11):m559-m562
The molecules of N,N′‐bis(2‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide, [Fe(C12H11N2O)2], contain intramolecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The molecules of the isomeric compound N,N′‐bis(3‐pyridylmethyl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the molecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking interactions between pyridyl groups. 相似文献
14.
Yavuz Kysal amil Ik Emine DogÜda Birsen Tozkoparan Mevlüt Ertan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o356-o357
The title compound, C25H17F2N3OS, was synthesized from 6‐(benzylidene)thiazolo[3,2‐b][1,2,4]triazol‐5(6H)‐one. The fused thiazolo[3,2‐b][1,2,4]triazole system is essentially planar, and bifurcated C—H⋯O, C—H⋯N and C—H⋯F interactions are present between molecules. 相似文献
15.
Christopher Glidewell John N. Low Janet M. S. Skakle James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o15-o18
2‐Amino‐5‐nitrothiazole crystallizes from solution in ethanol as a monosolvate, C3H3N3O2S·C2H6O, in which the thiazole component has a strongly polarized molecular–electronic structure. The thiazole molecules are linked into centrosymmetric dimers by paired N—H⋯N hydrogen bonds [H⋯N = 2.09 Å, N⋯N = 2.960 (6) Å and N—H⋯N = 169°], and these dimers are linked by the ethanol molecules, via a two‐centred N—H⋯O hydrogen bond [H⋯O = 1.98 Å, N⋯O = 2.838 (5) Å and N—H⋯O = 164°] and a planar asymmetric three‐centred O—H⋯(O)2 hydrogen bond [H⋯O = 2.07 and 2.53 Å, O⋯O = 2.900 (5) and 3.188 (5) Å, O—H⋯O = 169 and 136°, and O⋯H⋯O = 55°], into sheets built from alternating (8) and (38) rings. These sheets are triply interwoven. 相似文献
16.
Jacek Zaleski Grzegorz Spaleniak Janusz B. Kyzio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o627-o629
The geometries of the thiazole ring and the nitramino groups in N‐(3H‐thiazol‐2‐ylidene)nitramine, C3H3N3O2S, (I), and N‐methyl‐N‐(thiazol‐2‐yl)nitramine, C4H5N3O2S, (II), are very similar. The nitramine group in (II) is planar and twisted along the C—N bond with respect to the thiazole ring. In both structures, the asymmetric unit includes two practically equal molecules. In (I), the molecules are arranged in layers connected to each other by N—H⋯N and much weaker C—H⋯O hydrogen bonds. In the crystal structure of (II), the molecules are arranged in layers bound to each other by both weak C—H⋯O hydrogen bonds and S⋯O dipolar interactions. 相似文献
17.
A. Bagaria S. Ramakumar M. Gupta V. S. Chauhan 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):o174-o176
The title compound (systematic name: 3‐benzylidene‐6‐isobutylpiperazine‐2,5‐dione), C15H18N2O2, an α,β‐dehydrophenylalanine containing diketopiperazine, crystallizes in the space group P1 with two molecules in the asymmetric unit arranged antiparallel to one another. The α,β‐dehydrophenylalanine (ΔPhe) residue in this cyclic peptide retains its planarity but deviates from the standard conformations observed in its linear analogues. Each type of molecule forms a linear chain with molecules of the same type via pairwise N—H⋯O hydrogen bonds, while weaker C—H⋯O interactions link the chains together to form a three‐dimensional network. 相似文献
18.
Gordana Pavlovi Lidija Barii Vladimir Rapi Veronika Kova
《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m55-m57
Heteroannularly substituted ferrocene derivatives can act as model systems for various hydrogen‐bonded assemblies of biomolecules formed, for instance, by means of O—H⋯O and N—H⋯O hydrogen bonding. The crystal structure analysis of 1′‐(tert‐butoxycarbonylamino)ferrocene‐1‐carboxylic acid, [Fe(C10H14NO2)(C6H5O2)] or (C5H4COOH)Fe(C5H4NHCOOC(CH3)3, reveals two independent molecules within the asymmetric unit, and these are joined into discrete dimers by two types of intermolecular hydrogen bonds, viz. O—H⋯O and N—H⋯O. The –COOH and –NHCOOR groups are archetypes for dimer formation via two eight‐membered rings. The O—H⋯O hydrogen bonds [2.656 (3) and 2.663 (3) Å] form a cyclic carboxylic acid dimer motif. Another eight‐membered ring is formed by N—H⋯O hydrogen bonds [2.827 (3) and 2.854 (3) Å] between the N—H group and an O atom of another carbamoyl moiety. The dimers are assembled in a herring‐bone fashion in the bc plane. 相似文献
19.
Oscar Donoso‐Tauda Carlos A. Escobar Ramiro Araya‐Maturana Andrs Vega 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o631-o632
The molecule of the title compound, C19H20O2S, corresponds to a chiral sulfinyldienol with two stereogenic centres, viz. the C atom susbtituted by the hydroxy group and the sulfinyl S atom. The molecule displays a V‐shape in the solid state. The dihedral angle defined by the least‐squares planes of the aromatic rings is 72.9 (1)°. The packing pattern exhibits the following intermolecular hydrogen bonds: one O—H⋯O [H⋯O = 1.98 Å, O⋯O = 2.785 (4) Å and O—H⋯O = 166°] and two C—H⋯O [H⋯O = 2.58 and 2.60 Å, C⋯O = 3.527 (5) and 3.347 (5) Å, and C—H⋯O = 164 and 134°]. These define a chain along b. 相似文献
20.
Elizabeth M. Kikolski Hugh W. Thompson Roger A. Lalancette 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o394-o396
The asymmetric unit of the title compound, C24H36O4, contains three molecules, all differing in their side‐chain conformations and all linked by hydrogen bonding confined entirely within a three‐molecule block. One connection is of the acid‐to‐ketone type [O⋯O = 2.7055 (19) Å and O—H⋯O = 180°] and the other involves carboxyl pairing [O⋯O = 2.6485 (18) and 2.6598 (18) Å, and O—H⋯O = 168 and 174°]. Numerous intermolecular C—H⋯O close contacts connect neighbouring molecules. 相似文献